CID 412201

(4-amino-benzenesulfonylamino)-acetic acid

Structural Information

Molecular Formula
C8H10N2O4S
SMILES
C1=CC(=CC=C1N)S(=O)(=O)NCC(=O)O
InChI
InChI=1S/C8H10N2O4S/c9-6-1-3-7(4-2-6)15(13,14)10-5-8(11)12/h1-4,10H,5,9H2,(H,11,12)
InChIKey
BPJUMYMTQYMSFZ-UHFFFAOYSA-N
Compound name
2-[(4-aminophenyl)sulfonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

46
Patents

230.03613 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.04341 145.7
[M+Na]+ 253.02535 152.5
[M-H]- 229.02885 147.6
[M+NH4]+ 248.06995 162.1
[M+K]+ 268.99929 149.3
[M+H-H2O]+ 213.03339 139.4
[M+HCOO]- 275.03433 163.7
[M+CH3COO]- 289.04998 187.2
[M+Na-2H]- 251.01080 149.7
[M]+ 230.03558 145.6
[M]- 230.03668 145.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe